
 C7 Peptide

402412  0  0  0  0  0  0  0  0999 V2000
    1.2976   -7.8017  -16.6432 C   0  0  0  0  0
    0.5942   -8.7882  -15.7059 C   0  0  0  0  0
    1.0556  -10.2100  -16.0218 C   0  0  0  0  0
    0.8534   -8.3797  -14.2376 C   0  0  0  0  0
    0.0476   -9.1839  -13.1929 C   0  0  0  0  0
    0.9706  -10.2739  -12.5857 C   0  0  0  0  0
    0.9656  -11.4111  -13.0795 O   0  0  0  0  0
    1.9537  -10.0602  -11.6718 N   0  0  0  0  0
    2.2055   -9.0678  -10.6125 C   0  0  0  0  0
    2.3151   -7.6002  -11.0464 C   0  0  0  0  0
    3.7607   -7.0667  -11.1186 C   0  0  0  0  0
    4.5924   -7.7834  -12.1825 C   0  0  0  0  0
    3.7374   -5.5620  -11.4022 C   0  0  0  0  0
    1.1724   -9.2751   -9.4818 C   0  0  0  0  0
   -0.0115   -9.5157   -9.7407 O   0  0  0  0  0
    1.5309   -9.1753   -8.1734 N   0  0  0  0  0
    2.7871   -8.7038   -7.6085 C   0  0  0  0  0
    2.7603   -7.1878   -7.3804 C   0  0  0  0  0
    1.8272   -6.4949   -7.7940 O   0  0  0  0  0
    3.8051   -6.6206   -6.6855 N   0  0  0  0  0
    3.7619   -5.2021   -6.3639 C   0  0  0  0  0
    5.0125   -4.9523   -5.5400 C   0  0  0  0  0
    5.2726   -6.3147   -4.9055 C   0  0  0  0  0
    4.9477   -7.2854   -6.0374 C   0  0  0  0  0
    6.0647   -7.5496   -7.0914 C   0  0  0  0  0
    5.7881   -8.0904   -8.1615 O   0  0  0  0  0
    7.3597   -7.1873   -6.7820 N   0  0  0  0  0
    8.4980   -7.5440   -7.6555 C   0  0  0  0  0
    8.7386   -9.0650   -7.6402 C   0  0  0  0  0
   10.1459   -9.4406   -8.1197 C   0  0  0  0  0
   10.2688  -10.9482   -8.3361 C   0  0  0  0  0
   11.6139  -11.2873   -8.7555 N   0  0  0  0  0
   12.6447  -11.5545   -7.9274 C   0  0  0  0  0
   12.7217  -11.3767   -6.6620 N   0  0  0  0  0
   13.7006  -12.0564   -8.5940 N   0  0  0  0  0
    8.3339   -6.9942   -9.1001 C   0  0  0  0  0
    8.3015   -7.7558  -10.0723 O   0  0  0  0  0
    8.2393   -5.6304   -9.2755 N   0  0  0  0  0
    7.9410   -5.1042  -10.5977 C   0  0  0  0  0
    7.8233   -3.5992  -10.4101 C   0  0  0  0  0
    7.5909   -3.4552   -8.9102 C   0  0  0  0  0
    8.4834   -4.5370   -8.3146 C   0  0  0  0  0
   10.0151   -4.2227   -8.2906 C   0  0  0  0  0
   10.8115   -4.8621   -8.9894 O   0  0  0  0  0
   10.6016   -3.3435   -7.4294 N   0  0  0  0  0
   10.0988   -2.1888   -6.6624 C   0  0  0  0  0
    9.8828   -0.9828   -7.5848 C   0  0  0  0  0
    9.3404    0.2696   -6.8949 C   0  0  0  0  0
    9.1786    1.4098   -7.9088 C   0  0  0  0  0
    8.6248    2.6739   -7.2555 C   0  0  0  0  0
    8.4697    3.7498   -8.2307 N   0  0  0  0  0
    8.9422   -2.6421   -5.7493 C   0  0  0  0  0
    7.7661   -2.4013   -6.0239 O   0  0  0  0  0
    9.2584   -3.4688   -4.6821 N   0  0  0  0  0
    8.2109   -4.2359   -4.0339 C   0  0  0  0  0
    8.9188   -5.2104   -3.1063 C   0  0  0  0  0
   10.3040   -5.3434   -3.7281 C   0  0  0  0  0
   10.5860   -3.9330   -4.2517 C   0  0  0  0  0
   11.1916   -3.0824   -3.1162 C   0  0  0  0  0
   12.3069   -3.3318   -2.6701 O   0  0  0  0  0
   10.3676   -2.0996   -2.6021 N   0  0  0  0  0
   10.5424   -1.6037   -1.2320 C   0  0  0  0  0
   10.2602   -2.7036   -0.1997 C   0  0  0  0  0
   10.0562   -2.1400    1.2085 C   0  0  0  0  0
    9.4334   -3.1595    2.1381 C   0  0  0  0  0
    9.0194   -4.2596    1.7935 O   0  0  0  0  0
    9.3173   -2.7377    3.4299 N   0  0  0  0  0
   11.9213   -0.9375   -1.0618 C   0  0  0  0  0
   12.8071   -1.3937   -0.3357 O   0  0  0  0  0
   12.2094    0.2329   -1.7264 N   0  0  0  0  0
   11.3571    1.4326   -1.6861 C   0  0  0  0  0
   10.1413    1.3901   -2.6127 C   0  0  0  0  0
    9.5447    2.7877   -2.8130 C   0  0  0  0  0
    8.3128    2.7371   -3.6864 C   0  0  0  0  0
    7.8542    1.7097   -4.1719 O   0  0  0  0  0
    7.7394    3.9506   -3.9180 N   0  0  0  0  0
   11.0044    1.6796   -0.2073 C   0  0  0  0  0
    9.9027    1.3663    0.2513 O   0  0  0  0  0
   11.9736    2.0444    0.6785 N   0  0  0  0  0
   13.0225    3.0628    0.5697 C   0  0  0  0  0
   13.9741    3.0656   -0.6300 C   0  0  0  0  0
   15.2422    3.8062   -0.3064 C   0  0  0  0  0
   15.5526    5.1064   -0.6524 C   0  0  0  0  0
   16.7940    5.3988   -0.1521 N   0  0  0  0  0
   17.2946    4.3199    0.5383 C   0  0  0  0  0
   18.5079    4.1687    1.2199 C   0  0  0  0  0
   18.7599    2.9356    1.8286 C   0  0  0  0  0
   17.8346    1.8976    1.7577 C   0  0  0  0  0
   16.6265    2.0653    1.0722 C   0  0  0  0  0
   16.3487    3.2995    0.4489 C   0  0  0  0  0
   12.3256    4.4300    0.7073 C   0  0  0  0  0
   11.7225    4.9607   -0.2269 O   0  0  0  0  0
   12.2998    5.0002    1.9594 N   0  0  0  0  0
   12.4280    4.3214    3.1556 C   0  0  0  0  0
   12.1500    3.1313    3.2941 O   0  0  0  0  0
   13.1320    5.1163    4.2696 C   0  0  0  0  0
   14.6544    4.9824    4.0610 C   0  0  0  0  0
   15.4491    4.8398    5.3738 C   0  0  0  0  0
   15.1979    3.4871    6.0473 C   0  0  0  0  0
   16.9462    4.9953    5.0953 C   0  0  0  0  0
   12.7237    6.5230    4.2288 N   0  0  0  0  0
   11.5466    7.0162    4.7273 C   0  0  0  0  0
   10.8587    7.6968    3.9653 O   0  0  0  0  0
   11.0773    6.6708    6.1651 C   0  0  0  0  0
   10.2686    5.3660    6.1928 C   0  0  0  0  0
    9.5274    5.1024    7.5200 C   0  0  0  0  0
    8.3840    6.0911    7.7562 C   0  0  0  0  0
    8.9690    3.6754    7.5236 C   0  0  0  0  0
   12.2506    6.6333    7.0477 N   0  0  0  0  0
   12.9076    7.7829    7.4188 C   0  0  0  0  0
   14.0738    7.9232    7.0460 O   0  0  0  0  0
   12.1910    8.8679    8.2401 C   0  0  0  0  0
   11.3729    9.8221    7.3628 C   0  0  0  0  0
   11.3276   11.2039    7.9416 C   0  0  0  0  0
   10.2960   11.7534    8.6757 C   0  0  0  0  0
   10.6569   13.0220    9.0414 N   0  0  0  0  0
   11.9112   13.3167    8.5605 C   0  0  0  0  0
   12.6766   14.4811    8.6929 C   0  0  0  0  0
   13.9396   14.4975    8.0944 C   0  0  0  0  0
   14.4157   13.3925    7.3930 C   0  0  0  0  0
   13.6371   12.2360    7.2694 C   0  0  0  0  0
   12.3579   12.1953    7.8621 C   0  0  0  0  0
   11.3917    8.2024    9.2698 N   0  0  0  0  0
   11.7962    7.7733   10.5025 C   0  0  0  0  0
   11.1811    6.8138   10.9804 O   0  0  0  0  0
   12.9673    8.4259   11.2723 C   0  0  0  0  0
   14.3360    8.0197   10.6950 C   0  0  0  0  0
   15.5046    8.3807   11.5833 C   0  0  0  0  0
   15.9420    7.4971   12.5781 C   0  0  0  0  0
   17.0206    7.8355   13.3972 C   0  0  0  0  0
   17.6656    9.0604   13.2344 C   0  0  0  0  0
   17.2361    9.9477   12.2499 C   0  0  0  0  0
   16.1626    9.6093   11.4255 C   0  0  0  0  0
   12.7459    9.8814   11.4160 N   0  0  0  0  0
   -0.5801   -8.3158  -12.1916 N   0  0  0  0  0
   -1.6924   -7.5392  -12.1913 C   0  0  0  0  0
   -1.8991   -6.8484  -11.1866 O   0  0  0  0  0
   -2.6639   -7.4204  -13.3782 C   0  0  0  0  0
   -2.1616   -6.4319  -14.4358 C   0  0  0  0  0
   -3.2762   -5.9935  -15.3611 C   0  0  0  0  0
   -4.1808   -4.9995  -14.9570 C   0  0  0  0  0
   -5.2467   -4.6331  -15.7815 C   0  0  0  0  0
   -5.4057   -5.2604  -17.0122 C   0  0  0  0  0
   -4.5153   -6.2406  -17.4320 C   0  0  0  0  0
   -3.4514   -6.6094  -16.6081 C   0  0  0  0  0
   -6.4365   -4.9409  -17.8450 O   0  0  0  0  0
   -3.0194   -8.7298  -13.9215 N   0  0  0  0  0
   -3.8969   -9.6351  -13.3955 C   0  0  0  0  0
   -4.0752  -10.6974  -13.9928 O   0  0  0  0  0
   -4.7278   -9.2618  -12.1641 C   0  0  0  0  0
   -6.0679   -8.9112  -12.6086 N   0  0  0  0  0
   -7.2838   -9.4270  -12.2841 C   0  0  0  0  0
   -8.2542   -9.0533  -12.9492 O   0  0  0  0  0
   -7.4816  -10.3560  -11.0675 C   0  0  0  0  0
   -6.7753  -11.6991  -11.1595 C   0  0  0  0  0
   -7.1300   -9.6061   -9.8549 N   0  0  0  0  0
   -7.9993   -8.9381   -9.0341 C   0  0  0  0  0
   -7.6342   -7.8662   -8.5436 O   0  0  0  0  0
   -9.3494   -9.5620   -8.6201 C   0  0  0  0  0
  -10.4199   -9.5626   -9.7195 C   0  0  0  0  0
  -10.7519  -10.8772  -10.1624 O   0  0  0  0  0
   -9.0494  -10.8840   -8.0427 N   0  0  0  0  0
   -8.8626  -11.0860   -6.6979 C   0  0  0  0  0
   -7.7922  -11.5566   -6.3164 O   0  0  0  0  0
   -9.9925  -10.7216   -5.6983 C   0  0  0  0  0
   -9.6567   -9.3923   -5.0253 C   0  0  0  0  0
   -8.7672   -9.6393   -3.8308 C   0  0  0  0  0
   -9.0066  -10.4882   -2.9801 O   0  0  0  0  0
   -7.6955   -8.8070   -3.7153 N   0  0  0  0  0
  -11.2868  -10.6761   -6.3937 N   0  0  0  0  0
  -11.9438  -11.7586   -6.9111 C   0  0  0  0  0
  -12.5173  -11.5877   -7.9928 O   0  0  0  0  0
  -11.8933  -13.1572   -6.2560 C   0  0  0  0  0
  -10.5560  -13.8897   -6.4879 C   0  0  0  0  0
  -10.6661  -15.4245   -6.3545 C   0  0  0  0  0
  -11.2458  -16.0575   -7.6208 C   0  0  0  0  0
   -9.2908  -16.0288   -6.0604 C   0  0  0  0  0
  -12.2275  -13.0851   -4.8263 N   0  0  0  0  0
  -13.2352  -13.8175   -4.2609 C   0  0  0  0  0
  -12.9099  -14.6507   -3.4101 O   0  0  0  0  0
  -14.7327  -13.5119   -4.5511 C   0  0  0  0  0
  -15.2148  -13.7975   -5.9846 C   0  0  0  0  0
  -15.2346  -15.2770   -6.3518 C   0  0  0  0  0
  -16.5088  -13.2123   -6.1799 O   0  0  0  0  0
  -15.4775  -14.3018   -3.5371 N   0  0  0  0  0
  -16.2887  -13.8644   -2.5315 C   0  0  0  0  0
  -16.1925  -14.4306   -1.4383 O   0  0  0  0  0
  -17.2876  -12.7062   -2.7094 C   0  0  0  0  0
  -16.5989  -11.3460   -2.5534 C   0  0  0  0  0
  -17.5452  -10.2795   -2.0899 C   0  0  0  0  0
  -18.2031   -9.3614   -2.8843 C   0  0  0  0  0
  -18.9697   -8.5662   -2.0759 N   0  0  0  0  0
  -18.8305   -8.9479   -0.7622 C   0  0  0  0  0
  -19.4203   -8.4270    0.3956 C   0  0  0  0  0
  -19.0929   -9.0267    1.6152 C   0  0  0  0  0
  -18.2117  -10.1035    1.6716 C   0  0  0  0  0
  -17.6298  -10.6112    0.5044 C   0  0  0  0  0
  -17.9423  -10.0229   -0.7385 C   0  0  0  0  0
  -17.9814  -12.8456   -3.9897 N   0  0  0  0  0
  -18.9702  -13.7523   -4.2642 C   0  0  0  0  0
  -19.1316  -14.1139   -5.4323 O   0  0  0  0  0
  -19.8816  -14.2342   -3.1324 C   0  0  0  0  0
  -20.8471  -13.1831   -2.7828 N   0  0  0  0  0
    0.9465   -6.7792  -16.4679 H   0  0  0  0  0
    1.0937   -8.0464  -17.6910 H   0  0  0  0  0
    2.3828   -7.8185  -16.4955 H   0  0  0  0  0
   -0.4807   -8.7337  -15.9113 H   0  0  0  0  0
    2.0969  -10.3686  -15.7224 H   0  0  0  0  0
    0.9783  -10.4157  -17.0950 H   0  0  0  0  0
    0.4302  -10.9481  -15.5127 H   0  0  0  0  0
    0.6320   -7.3110  -14.1301 H   0  0  0  0  0
    1.9300   -8.4752  -14.0472 H   0  0  0  0  0
   -0.7665   -9.7251  -13.6791 H   0  0  0  0  0
    2.4092  -10.9494  -11.4972 H   0  0  0  0  0
    3.1718   -9.3913  -10.2143 H   0  0  0  0  0
    1.7570   -6.9711  -10.3432 H   0  0  0  0  0
    1.8519   -7.4333  -12.0172 H   0  0  0  0  0
    4.2426   -7.2140  -10.1460 H   0  0  0  0  0
    4.1455   -7.6748  -13.1761 H   0  0  0  0  0
    4.6857   -8.8518  -11.9664 H   0  0  0  0  0
    5.6060   -7.3702  -12.2236 H   0  0  0  0  0
    3.2502   -5.3454  -12.3591 H   0  0  0  0  0
    4.7511   -5.1528  -11.4406 H   0  0  0  0  0
    3.1942   -5.0271  -10.6158 H   0  0  0  0  0
    0.7264   -9.1852   -7.5566 H   0  0  0  0  0
    3.6105   -8.9765   -8.2615 H   0  0  0  0  0
    2.8954   -9.2103   -6.6457 H   0  0  0  0  0
    3.7322   -4.6038   -7.2798 H   0  0  0  0  0
    2.8547   -5.0066   -5.7811 H   0  0  0  0  0
    5.8394   -4.6728   -6.2015 H   0  0  0  0  0
    4.8788   -4.1554   -4.8033 H   0  0  0  0  0
    6.2678   -6.4215   -4.4775 H   0  0  0  0  0
    4.5590   -6.4626   -4.0835 H   0  0  0  0  0
    4.6519   -8.2596   -5.6361 H   0  0  0  0  0
    7.5964   -7.0152   -5.8180 H   0  0  0  0  0
    9.3710   -7.0467   -7.2149 H   0  0  0  0  0
    7.9892   -9.5739   -8.2588 H   0  0  0  0  0
    8.6083   -9.4488   -6.6198 H   0  0  0  0  0
   10.8816   -9.0982   -7.3817 H   0  0  0  0  0
   10.3893   -8.9269   -9.0569 H   0  0  0  0  0
    9.5707  -11.2573   -9.1231 H   0  0  0  0  0
    9.9909  -11.5037   -7.4330 H   0  0  0  0  0
   11.6404  -11.8417   -9.6051 H   0  0  0  0  0
   11.8443  -10.9847   -6.3240 H   0  0  0  0  0
   14.4954  -12.1134   -7.9641 H   0  0  0  0  0
   13.9386  -11.5106   -9.4123 H   0  0  0  0  0
    7.0032   -5.5476  -10.9448 H   0  0  0  0  0
    8.7377   -5.3715  -11.2995 H   0  0  0  0  0
    8.7599   -3.1064  -10.6967 H   0  0  0  0  0
    7.0168   -3.1659  -11.0083 H   0  0  0  0  0
    7.7644   -2.4455   -8.5620 H   0  0  0  0  0
    6.5402   -3.6887   -8.6897 H   0  0  0  0  0
    8.1782   -4.8320   -7.3113 H   0  0  0  0  0
   11.5997   -3.3210   -7.6143 H   0  0  0  0  0
   10.9211   -1.9038   -5.9931 H   0  0  0  0  0
    9.2488   -1.2294   -8.4354 H   0  0  0  0  0
   10.8538   -0.7323   -8.0359 H   0  0  0  0  0
   10.0241    0.5768   -6.0952 H   0  0  0  0  0
    8.3688    0.0609   -6.4360 H   0  0  0  0  0
    8.5058    1.0872   -8.7137 H   0  0  0  0  0
   10.1504    1.6269   -8.3701 H   0  0  0  0  0
    9.3015    3.0137   -6.4652 H   0  0  0  0  0
    7.6503    2.4708   -6.8003 H   0  0  0  0  0
    7.8099    3.4569   -8.9517 H   0  0  0  0  0
    9.3539    3.9052   -8.7135 H   0  0  0  0  0
    7.6809   -4.7737   -4.8193 H   0  0  0  0  0
    7.5118   -3.5749   -3.5137 H   0  0  0  0  0
    8.9948   -4.7909   -2.0992 H   0  0  0  0  0
    8.3972   -6.1685   -3.0283 H   0  0  0  0  0
   11.0440   -5.7095   -3.0102 H   0  0  0  0  0
   10.2604   -6.0487   -4.5675 H   0  0  0  0  0
   11.3052   -3.9472   -5.0720 H   0  0  0  0  0
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175176  1  0  0  0
175374  1  0  0  0
176375  1  0  0  0
176376  1  0  0  0
176377  1  0  0  0
177378  1  0  0  0
177379  1  0  0  0
177380  1  0  0  0
178179  1  0  0  0
178381  1  0  0  0
179181  1  0  0  0
179180  2  0  0  0
181185  1  0  0  0
181182  1  0  0  0
181382  1  0  0  0
182184  1  0  0  0
182183  1  0  0  0
182383  1  0  0  0
183384  1  0  0  0
183385  1  0  0  0
183386  1  0  0  0
184387  1  0  0  0
185186  1  0  0  0
185388  1  0  0  0
186188  1  0  0  0
186187  2  0  0  0
188199  1  0  0  0
188189  1  0  0  0
188389  1  0  0  0
189190  1  0  0  0
189390  1  0  0  0
189391  1  0  0  0
190198  1  0  0  0
190191  2  0  0  0
191192  1  0  0  0
191392  1  0  0  0
192193  1  0  0  0
192393  1  0  0  0
193198  1  0  0  0
193194  2  0  0  0
194195  1  0  0  0
194394  1  0  0  0
195196  2  0  0  0
195395  1  0  0  0
196197  1  0  0  0
196396  1  0  0  0
197198  2  0  0  0
197397  1  0  0  0
199200  1  0  0  0
199398  1  0  0  0
200202  1  0  0  0
200201  2  0  0  0
202203  1  0  0  0
202399  1  0  0  0
202400  1  0  0  0
203401  1  0  0  0
203402  1  0  0  0
M  END

>  <Chemical Name>
C7 Peptide

>  <PubChem CID>
16132250

>  <Formula>
C138H199N35O30

>  <Molecular Weight>
2828.325000

>  <IUPAC Name>


>  <XlogP>
0.5

>  <Hydrogen Bond Donors>
35

>  <Hydrogen Bond Acceptors>
34

>  <Canonical SMILES>
CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCNC(=N)N)C(=O)N2CCCC2C(=O)NC(CCCCN)C(=O)N3CCCC3C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC4=CNC5=CC=CC=C54)C(=O)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC6=CNC7=CC=CC=C76)NC(=O)C(CC8=CC=CC=C8)N)NC(=O)C(CC9=CC=C(C=C9)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CN

>  <Isomeric SMILES>
C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2CCC[C@H]2C(=O)N[C@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H](CC5=CNC6=CC=CC=C65)C(=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@H](CC9=CC=CC=C9)N)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CN)O

>  <InChI Std. ID>
InChI=1S/C138H199N35O30/c1-72(2)54-96(161-122(188)97(55-73(3)4)162-125(191)101(60-80-41-43-84(176)44-42-80)155-114(181)69-151-117(183)77(11)153-131(197)106(71-174)168-127(193)105(64-112(144)179)166-124(190)99(57-75(7)8)167-135(201)116(78(12)175)169-128(194)102(154-113(180)65-140)61-81-66-148-89-33-19-16-30-85(81)89)119(185)152-70-115(182)171-51-25-38-107(171)132(198)159-95(37-24-50-147-138(145)146)137(203)173-53-27-40-109(173)134(200)158-94(36-22-23-49-139)136(202)172-52-26-39-108(172)133(199)157-93(46-48-111(143)178)120(186)156-92(45-47-110(142)177)121(187)165-104(63-83-68-150-91-35-21-18-32-87(83)91)130(196)170-129(195)100(58-76(9)10)164-123(189)98(56-74(5)6)163-126(192)103(62-82-67-149-90-34-20-17-31-86(82)90)160-118(184)88(141)59-79-28-14-13-15-29-79/h13-21,28-35,41-44,66-68,72-78,88,92-109,116,148-150,174-176H,22-27,36-40,45-65,69-71,139-141H2,1-12H3,(H2,142,177)(H2,143,178)(H2,144,179)(H,151,183)(H,152,185)(H,153,197)(H,154,180)(H,155,181)(H,156,186)(H,157,199)(H,158,200)(H,159,198)(H,160,184)(H,161,188)(H,162,191)(H,163,192)(H,164,189)(H,165,187)(H,166,190)(H,167,201)(H,168,193)(H,169,194)(H4,145,146,147)(H,170,195,196)/t77-,78+,88-,92-,93-,94-,95+,96-,97-,98-,99-,100-,101-,102-,103+,104+,105-,106-,107-,108-,109-,116-/m0/s1

>  <InChI Key>
OETYBDQHOHLNBH-GNXGYILWSA-N

